Dihexyl ether (HCID 8198)

이름 및 식별자

우선 이름: Dihexyl ether
IUPAC: 1-hexoxyhexane
현지명: 헥실(노르말)에테르
영어명: DIHEXYL ETHER
분자식: C12H26O
분자량: 186.33

이름 및 동의어

Dihexyl ether112-58-3Hexyl etherN-Hexyl etherHexane, 1,1'-oxybis-DI-N-HEXYL ETHERBis(1-hexyl)etherBis(1-hexyl) ether1,1'-Oxybis(hexane)NSC 9286EINECS 203-987-8BRN 1738177

이름 더 보기

헥실에테르다이헥실에테르디헥실에테르헥실(노르말)에테르다이헥실에테르헥실 에테르디-n-헥실에테르n-hexylether,dihexylHexylEther>Ether, dihexyl1-hexoxyhexane

AI3-01454W1U07QA435NSC-9286UNII-W1U07QA435DTXSID8059421EC 203-987-84-01-00-01698 (Beilstein Handbook Reference)Dinhexyl ether

데이터베이스 식별자

CAS: 112-58-3
PubChem CID: 8198
DTXSID: DTXSID8059421
UNII: W1U07QA435
EC Number: 203-987-8
Nikkaji: J1.996H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 10
무거운 원자 수: 13
형식 전하: 0
복잡도: 71

실험 및 물리화학적 성질

Vapor Pressure0.04 [mmHg]

Physical Description · 2건

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3건

1265；1228；1269；1269；1265；1287

1264

1367；1368；1349；1359；1368

물리화학적 성질

녹는점: -43 °C · -43°C
끓는 점: 228 · 228-229 °C(lit.)
밀도: 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
증기압: 15 Pa · 15Pa at 20℃
굴절률: 20 · n20/D 1.4204(lit.)
인화점: 173 °F · 173 °F
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물에 완전히 섞임.
BRN: 1738177 · 1738177
Henry's Law Constant: 2.9 · 2.9×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: BPIUIOXAFBGMNB-UHFFFAOYSA-N
SMILES: CCCCCCOCCCCCC
LogP: 4.98 · 4.98
EPA: 1 · Hexane, 1,1'-oxybis- (112-58-3)

화학적 성질 · 1건

n-Hexyl ether is a colorless, stable liquid with a mild odor. It is less volatile than the lower members of the aliphatic ether group and its solubility in water is very slight. It is miscible with most organic solvents and can replace butyl ether for many similar applications. It is used as a solvent medium in chemical reactions and is a foam breaker for certain processes.

안전 및 규제

GHS 분류

GHS Classification · 3건

H413 (90.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Hazards SummaryA mild skin irritant; Causes altered sleep time (including change in righting reflex) in intravenous lethal-dose studies of mice; [RTECS] A mild skin irritant; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 3건

n-Hexyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAquatic Chronic 4 (90.5%)

규제 정보

Regulatory Information · 3건

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: KN8600000
독성: mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
HS 번호: 2909.19.1800
risk_code: 66
safety_code: 26-36/37/39
기존화학 물질: KE-10591
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1B
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 322,977 lb；2022: 26,455 lb；2021: 495,930 lb；2020: 257,610 lb

Industry UsesCleaning agent；Solvent

General Manufacturing Information · 2건

Oil and Gas Drilling, Extraction, and Support activities

Hexane, 1,1'-oxybis-: ACTIVE

응용 분야 · 1건

용도Dihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS.